| MolName | (5Z)-5-[[5-chloro-2-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C24H24NO3ClS2 |
| Smiles | O=C(/C(/S1)=C/c(cc(cc2)Cl)c2OCCOc2ccc(C3CCCCC3)cc2)NC1=S |
| InChI | InChI=1S/C24H24ClNO3S2/c25-19-8-11-21(18(14-19)15-22-23(27)26-24(30)31-22)29-13-12-28-20-9-6-17(7-10-20)16-4-2-1-3-5-16/h6-11,14-16H,1-5,12-13H2,(H,26,27,30) |
| InChIK | WPCQPZUZQLNYKK-UHFFFAOYSA-N |
| TotalMolweight | 474.044 |
| Molweight | 474.044 |
| MonoisotopicMass | 473.088611 |
| CLogP | 5.242 |
| CLogS | -7.271 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 354.38 |
| Relative PSA | 0.25394 |
| PolarSurfaceArea | 104.95 |
| Druglikeness | -9.2817 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[[5-chloro-2-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[5-chloro-2-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one